3-[3-(benzyloxy)-4-methoxyphenyl]-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enenitrile
Chemical Structure Depiction of
3-[3-(benzyloxy)-4-methoxyphenyl]-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enenitrile
3-[3-(benzyloxy)-4-methoxyphenyl]-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 3448-4262 |
| Compound Name: | 3-[3-(benzyloxy)-4-methoxyphenyl]-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enenitrile |
| Molecular Weight: | 402.51 |
| Molecular Formula: | C24 H22 N2 O2 S |
| Smiles: | COc1ccc(\C=C(/C#N)c2nc3CCCCc3s2)cc1OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.7124 |
| logD: | 5.7124 |
| logSw: | -5.5777 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 43.395 |
| InChI Key: | SREKKEOZGAYSJH-UHFFFAOYSA-N |